4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol

C19H23NO — CID 106953585

IUPAC4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
SMILESCc1cc(NC(C)c2ccc3c(c2)CCC3)c(C)cc1O
InChIInChI=1S/C19H23NO/c1-12-10-19(21)13(2)9-18(12)20-14(3)16-8-7-15-5-4-6-17(15)11-16/h7-11,14,20-21H,4-6H2,1-3H3
InChIKeyBUCPJTDBNWSVSL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.67
Rot. Bonds3

About 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol

4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol (PubChem CID 106953585) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
PubChem CID106953585
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
SMILESCc1cc(NC(C)c2ccc3c(c2)CCC3)c(C)cc1O
InChIInChI=1S/C19H23NO/c1-12-10-19(21)13(2)9-18(12)20-14(3)16-8-7-15-5-4-6-17(15)11-16/h7-11,14,20-21H,4-6H2,1-3H3
InChIKeyBUCPJTDBNWSVSL-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
CID 66254017
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol (CID 106953585) is 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol is Cc1cc(NC(C)c2ccc3c(c2)CCC3)c(C)cc1O.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol?
The InChIKey is BUCPJTDBNWSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-10-19(21)13(2)9-18(12)20-14(3)16-8-7-15-5-4-6-17(15)11-16/h7-11,14,20-21H,4-6H2,1-3H3.
What are the key properties of 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol?
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol has a molecular weight of 281.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).